22-methyl-1-pyrrolidin-1-yltetracosan-1-one

C29H57NO — CID 574902

IUPAC22-methyl-1-pyrrolidin-1-yltetracosan-1-one
SMILESCCC(C)CCCCCCCCCCCCCCCCCCCCC(=O)N1CCCC1
InChIInChI=1S/C29H57NO/c1-3-28(2)24-20-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21-25-29(31)30-26-22-23-27-30/h28H,3-27H2,1-2H3
InChIKeyRDZQCAJISVALQQ-UHFFFAOYSA-N
MW435.78 g/mol
LogP9.46
Rot. Bonds22

About 22-methyl-1-pyrrolidin-1-yltetracosan-1-one

22-methyl-1-pyrrolidin-1-yltetracosan-1-one (PubChem CID 574902) has the molecular formula C29H57NO and a molecular weight of 435.78 g/mol. Its IUPAC name is 22-methyl-1-pyrrolidin-1-yltetracosan-1-one.

Molecular Properties

Compound Name22-methyl-1-pyrrolidin-1-yltetracosan-1-one
PubChem CID574902
Molecular FormulaC29H57NO
Molecular Weight435.78 g/mol
Exact Mass435.44
IUPAC Name22-methyl-1-pyrrolidin-1-yltetracosan-1-one
SMILESCCC(C)CCCCCCCCCCCCCCCCCCCCC(=O)N1CCCC1
InChIInChI=1S/C29H57NO/c1-3-28(2)24-20-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21-25-29(31)30-26-22-23-27-30/h28H,3-27H2,1-2H3
InChIKeyRDZQCAJISVALQQ-UHFFFAOYSA-N
XLogP9.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds22
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.78
LogP ≤ 59.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(1-Pyrrolidinyl)-1-hexadecanone
CID 247220
N-(14-Methylhexadecanoyl)pyrrolidine
CID 6430518
Pyrrolidine, 1-stearoyl-
CID 574659
3-Cyclopentyl-1-(pyrrolidin-1-yl)propan-1-one (1)
CID 5053787
N,N-Diethylcyclohexanepropanamide
CID 95064
Eicosanoic acid, pyrrolidide
CID 85783950
1-(Pyrrolidin-1-yl)dodecan-1-one
CID 246839
7-Cyclohexyl-1-pyrrolidin-1-ylheptan-1-one
CID 155538030
3-Dodecylpyrrolidin-2-one
CID 21881336
N-(2-methyl-3-oxodecanoyl)pyrrolidine
CID 10682323
Cyclohexyl(pyrrolidin-1-yl)methanone
CID 5087171
1-(Pyrrolidin-1-yl)tridecan-1-one
CID 304095

Frequently Asked Questions

What is the IUPAC name of 22-methyl-1-pyrrolidin-1-yltetracosan-1-one?
The IUPAC name of 22-methyl-1-pyrrolidin-1-yltetracosan-1-one (CID 574902) is 22-methyl-1-pyrrolidin-1-yltetracosan-1-one.
What is the SMILES notation for 22-methyl-1-pyrrolidin-1-yltetracosan-1-one?
The canonical SMILES for 22-methyl-1-pyrrolidin-1-yltetracosan-1-one is CCC(C)CCCCCCCCCCCCCCCCCCCCC(=O)N1CCCC1.
What is the InChIKey of 22-methyl-1-pyrrolidin-1-yltetracosan-1-one?
The InChIKey is RDZQCAJISVALQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H57NO/c1-3-28(2)24-20-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21-25-29(31)30-26-22-23-27-30/h28H,3-27H2,1-2H3.
What are the key properties of 22-methyl-1-pyrrolidin-1-yltetracosan-1-one?
22-methyl-1-pyrrolidin-1-yltetracosan-1-one has a molecular weight of 435.78 g/mol, XLogP of 9.46, 22 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 22-methyl-1-pyrrolidin-1-yltetracosan-1-one is sourced from PubChem (CID 574902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).